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128341-04-8 | 9,10-Anthracenedione, 4,5-dihydroxy-1-(hydroxymethyl)-
CAS No: 128341-04-8 Catalog No: AG000XZ6 MDL No:
Product Description
Catalog Number:
AG000XZ6
Chemical Name:
9,10-Anthracenedione, 4,5-dihydroxy-1-(hydroxymethyl)-
CAS Number:
128341-04-8
Molecular Formula:
C15H10O5
Molecular Weight:
270.2369
IUPAC Name:
4,5-dihydroxy-1-(hydroxymethyl)anthracene-9,10-dione
InChI:
InChI=1S/C15H10O5/c16-6-7-4-5-10(18)13-11(7)14(19)8-2-1-3-9(17)12(8)15(13)20/h1-5,16-18H,6H2
InChI Key:
WLOAMJAMSFVOOZ-UHFFFAOYSA-N
SMILES:
OCc1ccc(c2c1C(=O)c1cccc(c1C2=O)O)O
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.053g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
270.24g/mol
Monoisotopic Mass:
270.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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